4-tert-butyl 1-ethyl 2-(diethoxyphosphoryl)butanedioate

4-tert-butyl 1-ethyl 2-(diethoxyphosphoryl)butanedioate

CAS: 77924-28-8

Formula: C14H27O7P

SMILES: CCOC(=O)C(CC(=O)OC(C)(C)C)P(=O)(OCC)OCC

IUPAC: 4-tert-butyl 1-ethyl 2-(diethoxyphosphoryl)butanedioate

InChI: InChI=1/C14H27O7P/c1-7-18-13(16)11(10-12(15)21-14(4,5)6)22(17,19-8-2)20-9-3/h11H,7-10H2,1-6H3

Composition: C (49.70%), H (8.04%), O (33.10%), P (9.15%)

Molar Mass: 338.337

Atom Count: 49

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	338.149440207
Formal Charge	0
FSP3	0.86
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	KDVUGKRGJXYCHD-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.72
Topological Polar Surface Area	88.13
Polarizability	32.87
Ring Count	0
Rotatable Bond Count	12

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